Geometry & MOs

Info

ID:	138008
PubChem CID:	52299176
Reduced:	NOC10H15 (2)
Stoich.:	ABC10D15 (2)
Weight, g/mol:	241.170474
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	2.57
IP(EA), eV:	-8.98(0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R)-1-methyl-2-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium

Drug info:

PubChemData

Smile

CC(=C[C@H]1[C@H](C1(C)C)C(=O)NC[C@@H](C2=CC=CO2)N3CCCC3)C

DOS

IR

Vibrations